[(3S)-2-(4-bromanyl-3-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3S)-2-(4-bromanyl-3-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3S)-2-(4-bromo-3-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3S)-2-(4-bromo-3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3S)-2-(4-bromo-3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3S)-2-(4-bromo-3-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidino-methanone Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCC4)Br

InChI

InChI=1S/C21H23BrN2O3S/c1-15-12-18(8-9-19(15)22)28(26,27)24-14-17-7-3-2-6-16(17)13-20(24)21(25)23-10-4-5-11-23/h2-3,6-9,12,20H,4-5,10-11,13-14H2,1H3/t20-/m0/s1